dkoes

dkoes's Stars

• google-deepmind/alphafold3

  AlphaFold 3 inference pipeline.

  Language:Python6.1k55266740

• SchedMD/slurm

  Slurm: A Highly Scalable Workload Manager

  Language:C2.9k1310682

• jwohlwend/boltz

  Official repository for the Boltz-1 biomolecular interaction model

  Language:Python1.6k32116207

• chaidiscovery/chai-lab

  Chai-1, SOTA model for biomolecular structure prediction

  Language:Python1.5k23154199

• SoftwareBrothers/better-docs

  Beautiful toolbox for jsdoc generated documentation - with 'typescript', `category` and `component` plugins

  Language:JavaScript86911172130

• nglviewer/nglview

  Jupyter widget to interactively view molecular structures and trajectories

  Language:Jupyter Notebook83921503135

• 3dmol/3Dmol.js

  WebGL accelerated JavaScript molecular graphics library

  Language:Jupyter Notebook83630486197

• Mariewelt/OpenChem

  OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

  Language:Python6963617115

• nglviewer/ngl

  WebGL protein viewer

  Language:TypeScript67830806172

• gnina/gnina

  A deep learning framework for molecular docking

  Language:C++66432232150

• jonathanking/sidechainnet

  An all-atom protein structure dataset for machine learning.

  Language:Python34793538

• cclib/cclib

  Parsers and algorithms for computational chemistry logfiles

  Language:Python34320529170

• polaris-hub/polaris

  Foster the development of impactful AI models in drug discovery.

  Language:Python1167948

• chopralab/lemon

  A framework for rapidly mining structural information from the Protein Data Bank

  Language:C++537912

• Psivant/stormm

  Language:C++41313

• Magnusnorrby/MolecularRift

  Language:C#19817

• arose/simpletraj

  Simple library for reading trajectory coordinates

  Language:C17338

• dkoes/slackfix

  Hacks to make slack more usable

  Language:JavaScript12401

• rcsb/mmtf-javascript

  The javascript implementation of the MMTF format.

  Language:JavaScript1111135